2-(difluoromethoxy)-5-phenylpyridine

• ChemBase ID: 795783
• Molecular Formular: C12H9F2NO
• Molecular Mass: 221.2027664
• Monoisotopic Mass: 221.06522035
• SMILES: n1c(ccc(c1)c1ccccc1)OC(F)F
• Canonical SMILES: FC(Oc1ccc(cn1)c1ccccc1)F
• InChI: InChI=1S/C12H9F2NO/c13-12(14)16-11-7-6-10(8-15-11)9-4-2-1-3-5-9/h1-8,12H
• InChIKey: QCPMLHSAFSOCPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(difluoromethoxy)-5-phenylpyridine
• IUPAC Traditional name: 2-(difluoromethoxy)-5-phenylpyridine
• Synonyms: 2-(DifluoroMethoxy)-5-phenylpyridine

Database IDs

• CAS Number: 1214323-29-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7662675
• LogD (pH = 7.4): 3.7663424
• Log P: 3.7663434
• Molar Refractivity: 55.8229 cm^3
• Polarizability: 22.2775 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%